5-methoxy-2H-indole

C9H9NO — CID 67835448

IUPAC5-methoxy-2H-indole
SMILESCOc1ccc2c(c1)=CCN=2
InChIInChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-4,6H,5H2,1H3
InChIKeyFIJBZLSFSYPWRG-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.11
Rot. Bonds1

About 5-methoxy-2H-indole

5-methoxy-2H-indole (PubChem CID 67835448) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methoxy-2H-indole.

Molecular Properties

Compound Name5-methoxy-2H-indole
PubChem CID67835448
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name5-methoxy-2H-indole
SMILESCOc1ccc2c(c1)=CCN=2
InChIInChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-4,6H,5H2,1H3
InChIKeyFIJBZLSFSYPWRG-UHFFFAOYSA-N
XLogP0.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-2H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2H-indole?
The IUPAC name of 5-methoxy-2H-indole (CID 67835448) is 5-methoxy-2H-indole.
What is the SMILES notation for 5-methoxy-2H-indole?
The canonical SMILES for 5-methoxy-2H-indole is COc1ccc2c(c1)=CCN=2.
What is the InChIKey of 5-methoxy-2H-indole?
The InChIKey is FIJBZLSFSYPWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-4,6H,5H2,1H3.
What are the key properties of 5-methoxy-2H-indole?
5-methoxy-2H-indole has a molecular weight of 147.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2H-indole is sourced from PubChem (CID 67835448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).